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56 similar compounds to monomer 60994

Compile data set for download or QSAR
Wt: 945.5
BDBM52742
Wt: 1301.7
BDBM58945
Wt: 1273.7
BDBM66019
Wt: 1275.7
BDBM66020
Wt: 1303.7
BDBM66021
Wt: 1317.7
BDBM66022
Wt: 960.5
BDBM67003
Wt: 1317.7
BDBM76231
Wt: 1278.7
BDBM76232
Wt: 1246.6
BDBM76234
Wt: 1306.7
BDBM76235
Wt: 1218.6
BDBM76236
Wt: 1306.7
BDBM76237
Wt: 1306.7
BDBM75699
Wt: 972.6
BDBM78585
Displayed 1 to 15 (of 56 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 69 hits for monomerid = 52742,58945,66019,66020,66021,66022,67003,76231,76232,76234,76235,76236,76237,75699,78585   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM52742
PNG
(MLS000562620 | SI-LI | SMR000391115 | cid_16196522)
Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)CO
Show InChI InChI=1S/C43H72N16O6.ClH/c1-8-20-63-22-24-65-25-23-64-21-11-46-41-47-42(56-16-12-54(13-17-56)39(61)37(31(6)9-2)58-27-35(50-52-58)33(44)26-30(4)5)49-43(48-41)57-18-14-55(15-19-57)40(62)38(32(7)10-3)59-28-36(51-53-59)34(45)29-60;/h1,27-28,30-34,37-38,60H,9-26,29,44-45H2,2-7H3,(H,46,47,48,49);1H/t31-,32-,33-,34-,37-,38-;/m0./s1
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n/an/an/an/a 2.44E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM52742
PNG
(MLS000562620 | SI-LI | SMR000391115 | cid_16196522)
Show SMILES Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)CO
Show InChI InChI=1S/C43H72N16O6.ClH/c1-8-20-63-22-24-65-25-23-64-21-11-46-41-47-42(56-16-12-54(13-17-56)39(61)37(31(6)9-2)58-27-35(50-52-58)33(44)26-30(4)5)49-43(48-41)57-18-14-55(15-19-57)40(62)38(32(7)10-3)59-28-36(51-53-59)34(45)29-60;/h1,27-28,30-34,37-38,60H,9-26,29,44-45H2,2-7H3,(H,46,47,48,49);1H/t31-,32-,33-,34-,37-,38-;/m0./s1
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n/an/an/an/a 1.80E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58945
PNG
(IK-IK | MLS002153618 | SMR001230886 | cid_24978565)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C[C@@H](C)CC)nn1
Show InChI InChI=1S/C68H120N18O7/c1-6-46-91-48-50-93-51-49-92-47-37-73-66-74-67(83-42-38-81(39-43-83)62(87)31-21-17-13-9-11-15-19-27-35-71-64(89)60(29-23-25-33-69)85-54-58(77-79-85)52-56(4)7-2)76-68(75-66)84-44-40-82(41-45-84)63(88)32-22-18-14-10-12-16-20-28-36-72-65(90)61(30-24-26-34-70)86-55-59(78-80-86)53-57(5)8-3/h1,54-57,60-61H,7-53,69-70H2,2-5H3,(H,71,89)(H,72,90)(H,73,74,75,76)/t56-,57-,60-,61-/m0/s1
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n/an/an/an/a 1.39E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
RPL19A


(Saccharomyces cerevisiae)
BDBM66019
PNG
(GK-IR | MLS002153614 | SMR001230882 | cid_24978568)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1
Show InChI InChI=1S/C64H112N20O7/c1-5-43-89-45-47-91-48-46-90-44-34-71-62-72-63(81-39-35-79(36-40-81)57(85)28-19-15-11-7-9-13-17-23-31-68-59(87)55(26-21-22-30-65)83-50-53(4)75-77-83)74-64(73-62)82-41-37-80(38-42-82)58(86)29-20-16-12-8-10-14-18-24-32-69-60(88)56(27-25-33-70-61(66)67)84-51-54(76-78-84)49-52(3)6-2/h1,50-52,55-56H,6-49,65H2,2-4H3,(H,68,87)(H,69,88)(H4,66,67,70)(H,71,72,73,74)/t52-,55-,56-/m0/s1
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n/an/an/an/a 1.07E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


Article DOI: 10.1021/bi4005396
BindingDB Entry DOI: 10.7270/Q2JQ0ZGP
More data for this
Ligand-Target Pair
RPL19A


(Saccharomyces cerevisiae)
BDBM66020
PNG
(MLS002153616 | SK-IK | SMR001230884 | cid_24983085)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1
Show InChI InChI=1S/C65H114N18O8/c1-4-45-89-47-49-91-50-48-90-46-35-70-63-71-64(80-40-36-78(37-41-80)59(85)28-18-14-10-6-8-12-16-24-33-68-61(87)57(26-20-22-31-66)82-52-55(30-44-84)74-76-82)73-65(72-63)81-42-38-79(39-43-81)60(86)29-19-15-11-7-9-13-17-25-34-69-62(88)58(27-21-23-32-67)83-53-56(75-77-83)51-54(3)5-2/h1,52-54,57-58,84H,5-51,66-67H2,2-3H3,(H,68,87)(H,69,88)(H,70,71,72,73)/t54-,57-,58-/m0/s1
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n/an/an/an/a 1.01E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


Article DOI: 10.1021/bi4005396
BindingDB Entry DOI: 10.7270/Q2JQ0ZGP
More data for this
Ligand-Target Pair
RPL19A


(Saccharomyces cerevisiae)
BDBM66021
PNG
(MLS002153617 | SK-IR | SMR001230885 | cid_24978571)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1
Show InChI InChI=1S/C65H114N20O8/c1-4-44-91-46-48-93-49-47-92-45-34-72-63-73-64(82-39-35-80(36-40-82)58(87)27-18-14-10-6-8-12-16-22-31-69-60(89)56(25-20-21-30-66)84-51-54(29-43-86)76-78-84)75-65(74-63)83-41-37-81(38-42-83)59(88)28-19-15-11-7-9-13-17-23-32-70-61(90)57(26-24-33-71-62(67)68)85-52-55(77-79-85)50-53(3)5-2/h1,51-53,56-57,86H,5-50,66H2,2-3H3,(H,69,89)(H,70,90)(H4,67,68,71)(H,72,73,74,75)/t53-,56-,57-/m0/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


Article DOI: 10.1021/bi4005396
BindingDB Entry DOI: 10.7270/Q2JQ0ZGP
More data for this
Ligand-Target Pair
RPL19A


(Saccharomyces cerevisiae)
BDBM66022
PNG
(KE-IK | MLS002153668 | SMR001231046 | cid_25163004)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C67H116N18O9/c1-4-46-92-48-50-94-51-49-93-47-37-72-65-73-66(82-42-38-80(39-43-82)60(86)29-20-14-10-6-8-12-16-25-35-70-63(90)58(28-22-24-34-69)85-54-57(77-79-85)52-55(3)5-2)75-67(74-65)83-44-40-81(41-45-83)61(87)30-21-15-11-7-9-13-17-26-36-71-64(91)59(31-32-62(88)89)84-53-56(76-78-84)27-19-18-23-33-68/h1,53-55,58-59H,5-52,68-69H2,2-3H3,(H,70,90)(H,71,91)(H,88,89)(H,72,73,74,75)/t55-,58-,59+/m0/s1
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n/an/an/an/a 1.10E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


Article DOI: 10.1021/bi4005396
BindingDB Entry DOI: 10.7270/Q2JQ0ZGP
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM67003
PNG
(KE-KI | MLS000560112 | SMR000127334 | cid_25163034)
Show SMILES [Cl-].CCCCc1cn(nn1)[C@@H](CCCC[NH3+])C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCC[NH3+])n1cc(CCC(O)=O)nn1
Show InChI InChI=1S/C43H70N16O7.ClH/c1-3-5-10-34-32-58(52-50-34)36(11-6-8-15-44)39(62)54-18-22-56(23-19-54)42-47-41(46-17-27-65-29-31-66-30-28-64-26-4-2)48-43(49-42)57-24-20-55(21-25-57)40(63)37(12-7-9-16-45)59-33-35(51-53-59)13-14-38(60)61;/h2,32-33,36-37H,3,5-31,44-45H2,1H3,(H,60,61)(H,46,47,48,49);1H/p+1/t36-,37-;/m0./s1
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM75699
PNG
(MLS002153695 | RI-MS | SMR001231073 | cid_25163023)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCSC)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-42-89-44-46-91-47-45-90-43-33-70-62-71-63(80-38-34-78(35-39-80)56(85)28-19-15-11-7-9-13-17-22-30-67-59(87)55(51-84)82-49-54(74-76-82)27-25-48-92-4)73-64(72-62)81-40-36-79(37-41-81)57(86)29-20-16-12-8-10-14-18-23-31-68-60(88)58(52(3)6-2)83-50-53(75-77-83)26-21-24-32-69-61(65)66/h1,49-50,52,55,58,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,58-/m0/s1
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n/an/an/an/a 4.07E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM66022
PNG
(KE-IK | MLS002153668 | SMR001231046 | cid_25163004)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C67H116N18O9/c1-4-46-92-48-50-94-51-49-93-47-37-72-65-73-66(82-42-38-80(39-43-82)60(86)29-20-14-10-6-8-12-16-25-35-70-63(90)58(28-22-24-34-69)85-54-57(77-79-85)52-55(3)5-2)75-67(74-65)83-44-40-81(41-45-83)61(87)30-21-15-11-7-9-13-17-26-36-71-64(91)59(31-32-62(88)89)84-53-56(76-78-84)27-19-18-23-33-68/h1,53-55,58-59H,5-52,68-69H2,2-3H3,(H,70,90)(H,71,91)(H,88,89)(H,72,73,74,75)/t55-,58-,59+/m0/s1
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n/an/an/an/a 8.37E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2513WNX
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM66022
PNG
(KE-IK | MLS002153668 | SMR001231046 | cid_25163004)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C67H116N18O9/c1-4-46-92-48-50-94-51-49-93-47-37-72-65-73-66(82-42-38-80(39-43-82)60(86)29-20-14-10-6-8-12-16-25-35-70-63(90)58(28-22-24-34-69)85-54-57(77-79-85)52-55(3)5-2)75-67(74-65)83-44-40-81(41-45-83)61(87)30-21-15-11-7-9-13-17-26-36-71-64(91)59(31-32-62(88)89)84-53-56(76-78-84)27-19-18-23-33-68/h1,53-55,58-59H,5-52,68-69H2,2-3H3,(H,70,90)(H,71,91)(H,88,89)(H,72,73,74,75)/t55-,58-,59+/m0/s1
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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21834Z1
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78585
PNG
(MLS000560150 | SMR000127373 | cid_9549887)
Show SMILES [Cl-].CCCCc1cn(nn1)[C@@H](CCCC[NH3+])C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(CCC\N=C(/N)[NH3+])nn1
Show InChI InChI=1S/C44H74N18O5.ClH/c1-5-8-12-35-32-61(55-53-35)37(14-9-10-15-45)39(63)57-18-22-59(23-19-57)43-50-42(49-17-27-66-29-31-67-30-28-65-26-6-2)51-44(52-43)60-24-20-58(21-25-60)40(64)38(34(4)7-3)62-33-36(54-56-62)13-11-16-48-41(46)47;/h2,32-34,37-38H,5,7-31,45H2,1,3-4H3,(H4,46,47,48)(H,49,50,51,52);1H/p+1/t34-,37-,38-;/m0./s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76231
PNG
(KI-KE | MLS002153715 | SMR001231141 | cid_24978582)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C67H116N18O9/c1-4-47-92-49-51-94-52-50-93-48-38-72-65-73-66(82-43-39-80(40-44-82)59(86)30-22-14-10-6-8-12-16-26-36-70-63(90)58(32-33-61(88)89)84-53-56(76-78-84)28-20-18-24-34-68)75-67(74-65)83-45-41-81(42-46-83)60(87)31-23-15-11-7-9-13-17-27-37-71-64(91)62(55(3)5-2)85-54-57(77-79-85)29-21-19-25-35-69/h1,53-55,58,62H,5-52,68-69H2,2-3H3,(H,70,90)(H,71,91)(H,88,89)(H,72,73,74,75)/t55-,58+,62-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76232
PNG
(KI-SM | MLS002153719 | SMR001231145 | cid_24978594)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C64H111N17O8S/c1-5-44-87-46-48-89-49-47-88-45-34-68-62-69-63(78-39-35-76(36-40-78)57(83)27-21-15-11-7-9-13-17-24-32-66-60(85)56(30-50-90-4)80-51-55(29-43-82)73-74-80)71-64(70-62)79-41-37-77(38-42-79)58(84)28-22-16-12-8-10-14-18-25-33-67-61(86)59(53(3)6-2)81-52-54(72-75-81)26-20-19-23-31-65/h1,51-53,56,59,82H,6-50,65H2,2-4H3,(H,66,85)(H,67,86)(H,68,69,70,71)/t53-,56+,59-/m0/s1
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n/an/a 1.43E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76234
PNG
(GT-RI | MLS002153736 | SMR001231162 | cid_24978587)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)O)n1cc(C)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C62H107N19O8/c1-6-41-87-43-45-89-46-44-88-42-32-68-60-69-61(71-62(70-60)79-39-35-77(36-40-79)54(84)28-21-17-13-9-11-15-19-24-30-66-58(86)56(51(5)82)80-47-50(4)72-74-80)78-37-33-76(34-38-78)53(83)27-20-16-12-8-10-14-18-23-29-65-57(85)55(49(3)7-2)81-48-52(73-75-81)26-22-25-31-67-59(63)64/h1,47-49,51,55-56,82H,7-46H2,2-5H3,(H,65,85)(H,66,86)(H4,63,64,67)(H,68,69,70,71)/t49-,51-,55-,56+/m0/s1
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n/an/a 8.63E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76235
PNG
(MLS002153739 | RI-SM | SMR001231165 | cid_24983076)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-43-89-45-47-91-48-46-90-44-33-70-62-71-63(80-38-34-78(35-39-80)56(85)26-19-15-11-7-9-13-17-22-30-67-59(87)55(29-49-92-4)82-50-54(28-42-84)75-76-82)73-64(72-62)81-40-36-79(37-41-81)57(86)27-20-16-12-8-10-14-18-23-31-68-60(88)58(52(3)6-2)83-51-53(74-77-83)25-21-24-32-69-61(65)66/h1,50-52,55,58,84H,6-49H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55+,58-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76236
PNG
(MLS002153600 | SMR001230868 | TG-IK | cid_24978567)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1
Show InChI InChI=1S/C62H107N17O8/c1-5-40-85-42-44-87-45-43-86-41-31-66-60-67-61(76-36-32-74(33-37-76)57(82)26-19-15-11-7-9-13-17-23-29-64-56(81)50-78-48-54(70-72-78)47-52(4)80)69-62(68-60)77-38-34-75(35-39-77)58(83)27-20-16-12-8-10-14-18-24-30-65-59(84)55(25-21-22-28-63)79-49-53(71-73-79)46-51(3)6-2/h1,48-49,51-52,55,80H,6-47,50,63H2,2-4H3,(H,64,81)(H,65,84)(H,66,67,68,69)/t51-,52+,55-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76237
PNG
(MLS002153605 | MS-IR | SMR001230873 | cid_24981563)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCSC)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-41-89-43-45-91-46-44-90-42-32-70-62-71-63(73-64(72-62)81-39-35-79(36-40-81)58(86)28-20-16-12-8-10-14-18-22-30-68-60(88)56(51-84)83-49-53(74-76-83)25-24-47-92-4)80-37-33-78(34-38-80)57(85)27-19-15-11-7-9-13-17-21-29-67-59(87)55(26-23-31-69-61(65)66)82-50-54(75-77-82)48-52(3)6-2/h1,49-50,52,55-56,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,56-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM76231
PNG
(KI-KE | MLS002153715 | SMR001231141 | cid_24978582)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C67H116N18O9/c1-4-47-92-49-51-94-52-50-93-48-38-72-65-73-66(82-43-39-80(40-44-82)59(86)30-22-14-10-6-8-12-16-26-36-70-63(90)58(32-33-61(88)89)84-53-56(76-78-84)28-20-18-24-34-68)75-67(74-65)83-45-41-81(42-46-83)60(87)31-23-15-11-7-9-13-17-27-37-71-64(91)62(55(3)5-2)85-54-57(77-79-85)29-21-19-25-35-69/h1,53-55,58,62H,5-52,68-69H2,2-3H3,(H,70,90)(H,71,91)(H,88,89)(H,72,73,74,75)/t55-,58+,62-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2SJ1J25
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM76232
PNG
(KI-SM | MLS002153719 | SMR001231145 | cid_24978594)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C64H111N17O8S/c1-5-44-87-46-48-89-49-47-88-45-34-68-62-69-63(78-39-35-76(36-40-78)57(83)27-21-15-11-7-9-13-17-24-32-66-60(85)56(30-50-90-4)80-51-55(29-43-82)73-74-80)71-64(70-62)79-41-37-77(38-42-79)58(84)28-22-16-12-8-10-14-18-25-33-67-61(86)59(53(3)6-2)81-52-54(72-75-81)26-20-19-23-31-65/h1,51-53,56,59,82H,6-50,65H2,2-4H3,(H,66,85)(H,67,86)(H,68,69,70,71)/t53-,56+,59-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SCW
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM76234
PNG
(GT-RI | MLS002153736 | SMR001231162 | cid_24978587)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)O)n1cc(C)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C62H107N19O8/c1-6-41-87-43-45-89-46-44-88-42-32-68-60-69-61(71-62(70-60)79-39-35-77(36-40-79)54(84)28-21-17-13-9-11-15-19-24-30-66-58(86)56(51(5)82)80-47-50(4)72-74-80)78-37-33-76(34-38-78)53(83)27-20-16-12-8-10-14-18-23-29-65-57(85)55(49(3)7-2)81-48-52(73-75-81)26-22-25-31-67-59(63)64/h1,47-49,51,55-56,82H,7-46H2,2-5H3,(H,65,85)(H,66,86)(H4,63,64,67)(H,68,69,70,71)/t49-,51-,55-,56+/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SCW
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM76235
PNG
(MLS002153739 | RI-SM | SMR001231165 | cid_24983076)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-43-89-45-47-91-48-46-90-44-33-70-62-71-63(80-38-34-78(35-39-80)56(85)26-19-15-11-7-9-13-17-22-30-67-59(87)55(29-49-92-4)82-50-54(28-42-84)75-76-82)73-64(72-62)81-40-36-79(37-41-81)57(86)27-20-16-12-8-10-14-18-23-31-68-60(88)58(52(3)6-2)83-51-53(74-77-83)25-21-24-32-69-61(65)66/h1,50-52,55,58,84H,6-49H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55+,58-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SCW
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM76236
PNG
(MLS002153600 | SMR001230868 | TG-IK | cid_24978567)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1
Show InChI InChI=1S/C62H107N17O8/c1-5-40-85-42-44-87-45-43-86-41-31-66-60-67-61(76-36-32-74(33-37-76)57(82)26-19-15-11-7-9-13-17-23-29-64-56(81)50-78-48-54(70-72-78)47-52(4)80)69-62(68-60)77-38-34-75(35-39-77)58(83)27-20-16-12-8-10-14-18-24-30-65-59(84)55(25-21-22-28-63)79-49-53(71-73-79)46-51(3)6-2/h1,48-49,51-52,55,80H,6-47,50,63H2,2-4H3,(H,64,81)(H,65,84)(H,66,67,68,69)/t51-,52+,55-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SCW
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM76237
PNG
(MLS002153605 | MS-IR | SMR001230873 | cid_24981563)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCSC)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-41-89-43-45-91-46-44-90-42-32-70-62-71-63(73-64(72-62)81-39-35-79(36-40-81)58(86)28-20-16-12-8-10-14-18-22-30-68-60(88)56(51-84)83-49-53(74-76-83)25-24-47-92-4)80-37-33-78(34-38-80)57(85)27-19-15-11-7-9-13-17-21-29-67-59(87)55(26-23-31-69-61(65)66)82-50-54(75-77-82)48-52(3)6-2/h1,49-50,52,55-56,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,56-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SCW
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76231
PNG
(KI-KE | MLS002153715 | SMR001231141 | cid_24978582)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C67H116N18O9/c1-4-47-92-49-51-94-52-50-93-48-38-72-65-73-66(82-43-39-80(40-44-82)59(86)30-22-14-10-6-8-12-16-26-36-70-63(90)58(32-33-61(88)89)84-53-56(76-78-84)28-20-18-24-34-68)75-67(74-65)83-45-41-81(42-46-83)60(87)31-23-15-11-7-9-13-17-27-37-71-64(91)62(55(3)5-2)85-54-57(77-79-85)29-21-19-25-35-69/h1,53-55,58,62H,5-52,68-69H2,2-3H3,(H,70,90)(H,71,91)(H,88,89)(H,72,73,74,75)/t55-,58+,62-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2J101NV
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76232
PNG
(KI-SM | MLS002153719 | SMR001231145 | cid_24978594)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C64H111N17O8S/c1-5-44-87-46-48-89-49-47-88-45-34-68-62-69-63(78-39-35-76(36-40-78)57(83)27-21-15-11-7-9-13-17-24-32-66-60(85)56(30-50-90-4)80-51-55(29-43-82)73-74-80)71-64(70-62)79-41-37-77(38-42-79)58(84)28-22-16-12-8-10-14-18-25-33-67-61(86)59(53(3)6-2)81-52-54(72-75-81)26-20-19-23-31-65/h1,51-53,56,59,82H,6-50,65H2,2-4H3,(H,66,85)(H,67,86)(H,68,69,70,71)/t53-,56+,59-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76234
PNG
(GT-RI | MLS002153736 | SMR001231162 | cid_24978587)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)O)n1cc(C)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C62H107N19O8/c1-6-41-87-43-45-89-46-44-88-42-32-68-60-69-61(71-62(70-60)79-39-35-77(36-40-79)54(84)28-21-17-13-9-11-15-19-24-30-66-58(86)56(51(5)82)80-47-50(4)72-74-80)78-37-33-76(34-38-78)53(83)27-20-16-12-8-10-14-18-23-29-65-57(85)55(49(3)7-2)81-48-52(73-75-81)26-22-25-31-67-59(63)64/h1,47-49,51,55-56,82H,7-46H2,2-5H3,(H,65,85)(H,66,86)(H4,63,64,67)(H,68,69,70,71)/t49-,51-,55-,56+/m0/s1
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n/an/a 1.04E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76235
PNG
(MLS002153739 | RI-SM | SMR001231165 | cid_24983076)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-43-89-45-47-91-48-46-90-44-33-70-62-71-63(80-38-34-78(35-39-80)56(85)26-19-15-11-7-9-13-17-22-30-67-59(87)55(29-49-92-4)82-50-54(28-42-84)75-76-82)73-64(72-62)81-40-36-79(37-41-81)57(86)27-20-16-12-8-10-14-18-23-31-68-60(88)58(52(3)6-2)83-51-53(74-77-83)25-21-24-32-69-61(65)66/h1,50-52,55,58,84H,6-49H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55+,58-/m0/s1
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n/an/a 5.87E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76236
PNG
(MLS002153600 | SMR001230868 | TG-IK | cid_24978567)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1
Show InChI InChI=1S/C62H107N17O8/c1-5-40-85-42-44-87-45-43-86-41-31-66-60-67-61(76-36-32-74(33-37-76)57(82)26-19-15-11-7-9-13-17-23-29-64-56(81)50-78-48-54(70-72-78)47-52(4)80)69-62(68-60)77-38-34-75(35-39-77)58(83)27-20-16-12-8-10-14-18-24-30-65-59(84)55(25-21-22-28-63)79-49-53(71-73-79)46-51(3)6-2/h1,48-49,51-52,55,80H,6-47,50,63H2,2-4H3,(H,64,81)(H,65,84)(H,66,67,68,69)/t51-,52+,55-/m0/s1
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n/an/a 9.55E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76237
PNG
(MLS002153605 | MS-IR | SMR001230873 | cid_24981563)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCSC)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-41-89-43-45-91-46-44-90-42-32-70-62-71-63(73-64(72-62)81-39-35-79(36-40-81)58(86)28-20-16-12-8-10-14-18-22-30-68-60(88)56(51-84)83-49-53(74-76-83)25-24-47-92-4)80-37-33-78(34-38-80)57(85)27-19-15-11-7-9-13-17-21-29-67-59(87)55(26-23-31-69-61(65)66)82-50-54(75-77-82)48-52(3)6-2/h1,49-50,52,55-56,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,56-/m0/s1
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n/an/a 3.23E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76231
PNG
(KI-KE | MLS002153715 | SMR001231141 | cid_24978582)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C67H116N18O9/c1-4-47-92-49-51-94-52-50-93-48-38-72-65-73-66(82-43-39-80(40-44-82)59(86)30-22-14-10-6-8-12-16-26-36-70-63(90)58(32-33-61(88)89)84-53-56(76-78-84)28-20-18-24-34-68)75-67(74-65)83-45-41-81(42-46-83)60(87)31-23-15-11-7-9-13-17-27-37-71-64(91)62(55(3)5-2)85-54-57(77-79-85)29-21-19-25-35-69/h1,53-55,58,62H,5-52,68-69H2,2-3H3,(H,70,90)(H,71,91)(H,88,89)(H,72,73,74,75)/t55-,58+,62-/m0/s1
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n/an/a 1.71E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76232
PNG
(KI-SM | MLS002153719 | SMR001231145 | cid_24978594)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C64H111N17O8S/c1-5-44-87-46-48-89-49-47-88-45-34-68-62-69-63(78-39-35-76(36-40-78)57(83)27-21-15-11-7-9-13-17-24-32-66-60(85)56(30-50-90-4)80-51-55(29-43-82)73-74-80)71-64(70-62)79-41-37-77(38-42-79)58(84)28-22-16-12-8-10-14-18-25-33-67-61(86)59(53(3)6-2)81-52-54(72-75-81)26-20-19-23-31-65/h1,51-53,56,59,82H,6-50,65H2,2-4H3,(H,66,85)(H,67,86)(H,68,69,70,71)/t53-,56+,59-/m0/s1
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n/an/a 5.89E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76234
PNG
(GT-RI | MLS002153736 | SMR001231162 | cid_24978587)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)O)n1cc(C)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C62H107N19O8/c1-6-41-87-43-45-89-46-44-88-42-32-68-60-69-61(71-62(70-60)79-39-35-77(36-40-79)54(84)28-21-17-13-9-11-15-19-24-30-66-58(86)56(51(5)82)80-47-50(4)72-74-80)78-37-33-76(34-38-78)53(83)27-20-16-12-8-10-14-18-23-29-65-57(85)55(49(3)7-2)81-48-52(73-75-81)26-22-25-31-67-59(63)64/h1,47-49,51,55-56,82H,7-46H2,2-5H3,(H,65,85)(H,66,86)(H4,63,64,67)(H,68,69,70,71)/t49-,51-,55-,56+/m0/s1
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n/an/a 366n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76235
PNG
(MLS002153739 | RI-SM | SMR001231165 | cid_24983076)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-43-89-45-47-91-48-46-90-44-33-70-62-71-63(80-38-34-78(35-39-80)56(85)26-19-15-11-7-9-13-17-22-30-67-59(87)55(29-49-92-4)82-50-54(28-42-84)75-76-82)73-64(72-62)81-40-36-79(37-41-81)57(86)27-20-16-12-8-10-14-18-23-31-68-60(88)58(52(3)6-2)83-51-53(74-77-83)25-21-24-32-69-61(65)66/h1,50-52,55,58,84H,6-49H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55+,58-/m0/s1
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n/an/a 1.66E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76236
PNG
(MLS002153600 | SMR001230868 | TG-IK | cid_24978567)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1
Show InChI InChI=1S/C62H107N17O8/c1-5-40-85-42-44-87-45-43-86-41-31-66-60-67-61(76-36-32-74(33-37-76)57(82)26-19-15-11-7-9-13-17-23-29-64-56(81)50-78-48-54(70-72-78)47-52(4)80)69-62(68-60)77-38-34-75(35-39-77)58(83)27-20-16-12-8-10-14-18-24-30-65-59(84)55(25-21-22-28-63)79-49-53(71-73-79)46-51(3)6-2/h1,48-49,51-52,55,80H,6-47,50,63H2,2-4H3,(H,64,81)(H,65,84)(H,66,67,68,69)/t51-,52+,55-/m0/s1
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n/an/a 4.71E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76237
PNG
(MLS002153605 | MS-IR | SMR001230873 | cid_24981563)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCSC)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-41-89-43-45-91-46-44-90-42-32-70-62-71-63(73-64(72-62)81-39-35-79(36-40-81)58(86)28-20-16-12-8-10-14-18-22-30-68-60(88)56(51-84)83-49-53(74-76-83)25-24-47-92-4)80-37-33-78(34-38-80)57(85)27-19-15-11-7-9-13-17-21-29-67-59(87)55(26-23-31-69-61(65)66)82-50-54(75-77-82)48-52(3)6-2/h1,49-50,52,55-56,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,56-/m0/s1
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n/an/a 1.15E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM76231
PNG
(KI-KE | MLS002153715 | SMR001231141 | cid_24978582)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C67H116N18O9/c1-4-47-92-49-51-94-52-50-93-48-38-72-65-73-66(82-43-39-80(40-44-82)59(86)30-22-14-10-6-8-12-16-26-36-70-63(90)58(32-33-61(88)89)84-53-56(76-78-84)28-20-18-24-34-68)75-67(74-65)83-45-41-81(42-46-83)60(87)31-23-15-11-7-9-13-17-27-37-71-64(91)62(55(3)5-2)85-54-57(77-79-85)29-21-19-25-35-69/h1,53-55,58,62H,5-52,68-69H2,2-3H3,(H,70,90)(H,71,91)(H,88,89)(H,72,73,74,75)/t55-,58+,62-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM76234
PNG
(GT-RI | MLS002153736 | SMR001231162 | cid_24978587)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)O)n1cc(C)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C62H107N19O8/c1-6-41-87-43-45-89-46-44-88-42-32-68-60-69-61(71-62(70-60)79-39-35-77(36-40-79)54(84)28-21-17-13-9-11-15-19-24-30-66-58(86)56(51(5)82)80-47-50(4)72-74-80)78-37-33-76(34-38-78)53(83)27-20-16-12-8-10-14-18-23-29-65-57(85)55(49(3)7-2)81-48-52(73-75-81)26-22-25-31-67-59(63)64/h1,47-49,51,55-56,82H,7-46H2,2-5H3,(H,65,85)(H,66,86)(H4,63,64,67)(H,68,69,70,71)/t49-,51-,55-,56+/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM76235
PNG
(MLS002153739 | RI-SM | SMR001231165 | cid_24983076)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-43-89-45-47-91-48-46-90-44-33-70-62-71-63(80-38-34-78(35-39-80)56(85)26-19-15-11-7-9-13-17-22-30-67-59(87)55(29-49-92-4)82-50-54(28-42-84)75-76-82)73-64(72-62)81-40-36-79(37-41-81)57(86)27-20-16-12-8-10-14-18-23-31-68-60(88)58(52(3)6-2)83-51-53(74-77-83)25-21-24-32-69-61(65)66/h1,50-52,55,58,84H,6-49H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55+,58-/m0/s1
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n/an/a 3.81E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM76237
PNG
(MLS002153605 | MS-IR | SMR001230873 | cid_24981563)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCSC)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-41-89-43-45-91-46-44-90-42-32-70-62-71-63(73-64(72-62)81-39-35-79(36-40-81)58(86)28-20-16-12-8-10-14-18-22-30-68-60(88)56(51-84)83-49-53(74-76-83)25-24-47-92-4)80-37-33-78(34-38-80)57(85)27-19-15-11-7-9-13-17-21-29-67-59(87)55(26-23-31-69-61(65)66)82-50-54(75-77-82)48-52(3)6-2/h1,49-50,52,55-56,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,56-/m0/s1
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n/an/a 2.68E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM66019
PNG
(GK-IR | MLS002153614 | SMR001230882 | cid_24978568)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1
Show InChI InChI=1S/C64H112N20O7/c1-5-43-89-45-47-91-48-46-90-44-34-71-62-72-63(81-39-35-79(36-40-81)57(85)28-19-15-11-7-9-13-17-23-31-68-59(87)55(26-21-22-30-65)83-50-53(4)75-77-83)74-64(73-62)82-41-37-80(38-42-82)58(86)29-20-16-12-8-10-14-18-24-32-69-60(88)56(27-25-33-70-61(66)67)84-51-54(76-78-84)49-52(3)6-2/h1,50-52,55-56H,6-49,65H2,2-4H3,(H,68,87)(H,69,88)(H4,66,67,70)(H,71,72,73,74)/t52-,55-,56-/m0/s1
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n/an/a 2.18E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM66022
PNG
(KE-IK | MLS002153668 | SMR001231046 | cid_25163004)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C67H116N18O9/c1-4-46-92-48-50-94-51-49-93-47-37-72-65-73-66(82-42-38-80(39-43-82)60(86)29-20-14-10-6-8-12-16-25-35-70-63(90)58(28-22-24-34-69)85-54-57(77-79-85)52-55(3)5-2)75-67(74-65)83-44-40-81(41-45-83)61(87)30-21-15-11-7-9-13-17-26-36-71-64(91)59(31-32-62(88)89)84-53-56(76-78-84)27-19-18-23-33-68/h1,53-55,58-59H,5-52,68-69H2,2-3H3,(H,70,90)(H,71,91)(H,88,89)(H,72,73,74,75)/t55-,58-,59+/m0/s1
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n/an/a 4.52E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM75699
PNG
(MLS002153695 | RI-MS | SMR001231073 | cid_25163023)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCSC)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-42-89-44-46-91-47-45-90-43-33-70-62-71-63(80-38-34-78(35-39-80)56(85)28-19-15-11-7-9-13-17-22-30-67-59(87)55(51-84)82-49-54(74-76-82)27-25-48-92-4)73-64(72-62)81-40-36-79(37-41-81)57(86)29-20-16-12-8-10-14-18-23-31-68-60(88)58(52(3)6-2)83-50-53(75-77-83)26-21-24-32-69-61(65)66/h1,49-50,52,55,58,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,58-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM76231
PNG
(KI-KE | MLS002153715 | SMR001231141 | cid_24978582)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C67H116N18O9/c1-4-47-92-49-51-94-52-50-93-48-38-72-65-73-66(82-43-39-80(40-44-82)59(86)30-22-14-10-6-8-12-16-26-36-70-63(90)58(32-33-61(88)89)84-53-56(76-78-84)28-20-18-24-34-68)75-67(74-65)83-45-41-81(42-46-83)60(87)31-23-15-11-7-9-13-17-27-37-71-64(91)62(55(3)5-2)85-54-57(77-79-85)29-21-19-25-35-69/h1,53-55,58,62H,5-52,68-69H2,2-3H3,(H,70,90)(H,71,91)(H,88,89)(H,72,73,74,75)/t55-,58+,62-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM76234
PNG
(GT-RI | MLS002153736 | SMR001231162 | cid_24978587)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)O)n1cc(C)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C62H107N19O8/c1-6-41-87-43-45-89-46-44-88-42-32-68-60-69-61(71-62(70-60)79-39-35-77(36-40-79)54(84)28-21-17-13-9-11-15-19-24-30-66-58(86)56(51(5)82)80-47-50(4)72-74-80)78-37-33-76(34-38-78)53(83)27-20-16-12-8-10-14-18-23-29-65-57(85)55(49(3)7-2)81-48-52(73-75-81)26-22-25-31-67-59(63)64/h1,47-49,51,55-56,82H,7-46H2,2-5H3,(H,65,85)(H,66,86)(H4,63,64,67)(H,68,69,70,71)/t49-,51-,55-,56+/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM76235
PNG
(MLS002153739 | RI-SM | SMR001231165 | cid_24983076)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-43-89-45-47-91-48-46-90-44-33-70-62-71-63(80-38-34-78(35-39-80)56(85)26-19-15-11-7-9-13-17-22-30-67-59(87)55(29-49-92-4)82-50-54(28-42-84)75-76-82)73-64(72-62)81-40-36-79(37-41-81)57(86)27-20-16-12-8-10-14-18-23-31-68-60(88)58(52(3)6-2)83-51-53(74-77-83)25-21-24-32-69-61(65)66/h1,50-52,55,58,84H,6-49H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55+,58-/m0/s1
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n/an/a 5.51E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM76237
PNG
(MLS002153605 | MS-IR | SMR001230873 | cid_24981563)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCSC)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-41-89-43-45-91-46-44-90-42-32-70-62-71-63(73-64(72-62)81-39-35-79(36-40-81)58(86)28-20-16-12-8-10-14-18-22-30-68-60(88)56(51-84)83-49-53(74-76-83)25-24-47-92-4)80-37-33-78(34-38-80)57(85)27-19-15-11-7-9-13-17-21-29-67-59(87)55(26-23-31-69-61(65)66)82-50-54(75-77-82)48-52(3)6-2/h1,49-50,52,55-56,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,56-/m0/s1
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n/an/a 2.33E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM66019
PNG
(GK-IR | MLS002153614 | SMR001230882 | cid_24978568)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1
Show InChI InChI=1S/C64H112N20O7/c1-5-43-89-45-47-91-48-46-90-44-34-71-62-72-63(81-39-35-79(36-40-81)57(85)28-19-15-11-7-9-13-17-23-31-68-59(87)55(26-21-22-30-65)83-50-53(4)75-77-83)74-64(73-62)82-41-37-80(38-42-82)58(86)29-20-16-12-8-10-14-18-24-32-69-60(88)56(27-25-33-70-61(66)67)84-51-54(76-78-84)49-52(3)6-2/h1,50-52,55-56H,6-49,65H2,2-4H3,(H,68,87)(H,69,88)(H4,66,67,70)(H,71,72,73,74)/t52-,55-,56-/m0/s1
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n/an/a 6.58E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM66022
PNG
(KE-IK | MLS002153668 | SMR001231046 | cid_25163004)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C67H116N18O9/c1-4-46-92-48-50-94-51-49-93-47-37-72-65-73-66(82-42-38-80(39-43-82)60(86)29-20-14-10-6-8-12-16-25-35-70-63(90)58(28-22-24-34-69)85-54-57(77-79-85)52-55(3)5-2)75-67(74-65)83-44-40-81(41-45-83)61(87)30-21-15-11-7-9-13-17-26-36-71-64(91)59(31-32-62(88)89)84-53-56(76-78-84)27-19-18-23-33-68/h1,53-55,58-59H,5-52,68-69H2,2-3H3,(H,70,90)(H,71,91)(H,88,89)(H,72,73,74,75)/t55-,58-,59+/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM75699
PNG
(MLS002153695 | RI-MS | SMR001231073 | cid_25163023)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCSC)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-42-89-44-46-91-47-45-90-43-33-70-62-71-63(80-38-34-78(35-39-80)56(85)28-19-15-11-7-9-13-17-22-30-67-59(87)55(51-84)82-49-54(74-76-82)27-25-48-92-4)73-64(72-62)81-40-36-79(37-41-81)57(86)29-20-16-12-8-10-14-18-23-31-68-60(88)58(52(3)6-2)83-50-53(75-77-83)26-21-24-32-69-61(65)66/h1,49-50,52,55,58,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,58-/m0/s1
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n/an/a 3.11E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
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